N-[(1R,2S,3R,5R)-2,3-Dihydroxy-5-(4-methoxyphenyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
12982
Reference
N-[(1R,2S,3R,5R)-2,3-Dihydroxy-5-(4-methoxyphenyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Structure
Systematic / IUPAC Name:
ID: Reference12982
Other Names: NAT38-538929
Formula: C21H23NO6
Spectral Data
N-[(1R,2S,3R,5R)-2,3-Dihydroxy-5-(4-methoxyphenyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1280 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/26/2024 10:30:30 AM |
Identificators
| InChI | InChI=1S/C21H23NO6/c1-26-14-5-2-12(3-6-14)15-11-16(23)20(24)19(15)22-21(25)13-4-7-17-18(10-13)28-9-8-27-17/h2-7,10,15-16,19-20,23-24H,8-9,11H2,1H3,(H,22,25)/t15-,16-,19-,20-/m1/s1 |
| InChI Key | VLJWSHGHBDKHEQ-XNFNUYLZSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C2CC(C(C2NC(=O)C3=CC4=C(C=C3)OCCO4)O)O |
| CAS | |
| Splash | |
| Other Names | NAT38-538929 |